1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C16H17ClN6O — CID 118380873

IUPAC1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C16H17ClN6O/c1-9(10-3-5-11(17)6-4-10)20-16(24)21-14-7-13-12(8-19-14)15(18-2)23-22-13/h3-9H,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t9-/m1/s1
InChIKeyUYDFMHVNEDIXMK-SECBINFHSA-N
MW344.81 g/mol
LogP3.54
Rot. Bonds4

About 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118380873) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118380873
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C16H17ClN6O/c1-9(10-3-5-11(17)6-4-10)20-16(24)21-14-7-13-12(8-19-14)15(18-2)23-22-13/h3-9H,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t9-/m1/s1
InChIKeyUYDFMHVNEDIXMK-SECBINFHSA-N
XLogP3.54
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11603296
2-(4-chlorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53319647
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
(R)-1-(3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
CID 71555466
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555534
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
1-[3-(2-fluoro-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044895
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168268921

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118380873) is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is CNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is UYDFMHVNEDIXMK-SECBINFHSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-9(10-3-5-11(17)6-4-10)20-16(24)21-14-7-13-12(8-19-14)15(18-2)23-22-13/h3-9H,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 344.81 g/mol, XLogP of 3.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118380873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).